SMILES:
CSc1nc(C)c(C#N)c(Cl)n1Molecular Processing
Molecular formula
C7H6ClN3S
Molecular weight
199.67
Exact mass
198.9971
XLogP
2.03
TPSA
49.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
48.28
Supplementary Information
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